이름: 6-(m-acetoxyphenyl)-1-diethylaminohexan-3-one
SMILES:
CCN(CC)CCC(=O)CCCc1cccc(OC(C)=O)c1Molecular Processing
Molecular formula
C18H27NO3
Molecular weight
305.42
Exact mass
305.1991
XLogP
3.24
TPSA
46.61
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
10
Heavy atoms
22
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
88.1
Supplementary Information
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